1-Benzyl-1,2,3,6-tetrahydropyridine

C₁₂H₁₅NCAS 40240-12-8173.26 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₁₂H₁₅N
Molar mass: 173.26 g/mol
Exact mass: 173.1204 Da
logP: 2.45Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

40240-12-8

SMILES

C1CN(CC=C1)CC2=CC=CC=C2

InChIKey

SIRJFTFGHZXRRZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2

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Names and synonyms

1 names

N-Benzyl-1,2,3,6-tetrahydropyridine

Work with 1-Benzyl-1,2,3,6-tetrahydropyridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzyl-2,5-dihydro-1H-pyrrole6913-92-473 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-556 % similar Tribenzylamine620-40-654 % similar Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazine2547-66-250 % similar 1-Benzylpiperidine2905-56-850 % similar 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine32018-56-749 % similar 2-[Bis(phenylmethyl)amino]ethanol101-06-447 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3,3-Trimethyl-2-methyleneindoline118-12-7 2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2-(1,1-Dimethylethyl)-1H-indole1805-65-8 2,3,3,5-Tetramethyl-3H-indole25981-82-2 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 4'-Diethylaminophenyl acetylene41876-70-4 Julolidine479-59-4

Elsewhere

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